BEO
Summary
| Name: | BUTENOIC ACID |
| Formula: | C4 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 86.089 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-but-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C=C/C |
| SMILES_CANONICAL | CACTVS | 3.341 | C/C=C/C(O)=O |
| SMILES | CACTVS | 3.341 | CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC=CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ |
| InChIKey | InChI | 1.03 | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
